SCHEMBL2490795

SCHEMBL2490795

[CH2]c1cccc(-c2ccccc2N)c1-c1ccccc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
HSD17B10 Q99714 3/20 0.43
ADORA2A P29274 2/20 0.41
PTPRC P08575 1/20 0.41
CYP3A4 P08684 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
IDO1 P14902 4/20 0.37
FGR P09769 1/20 0.35
PIM1 P11309 1/20 0.35
MAOA P21397 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CSNK1D P48730 1/20 0.35
DYRK1A Q13627 1/20 0.35
HIPK2 Q9H2X6 1/20 0.35
CSNK1G1 Q9HCP0 1/20 0.35
HSPA1A P0DMV8 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3714036 0.84 ALDH1A1 (0.72) ALDH1A1L3MBTL1HSD17B10ADORA2APTPRC
SCHEMBL5493737 0.81 ALDH1A1 (0.68) ALDH1A1L3MBTL1HSD17B10ADORA2APTPRC
SCHEMBL2495611 0.81 ALDH1A1 (0.68) ALDH1A1L3MBTL1HSD17B10ADORA2APTPRC
SCHEMBL17666712 0.79 ALDH1A1 (0.52) ALDH1A1L3MBTL1HSD17B10ADORA2APTPRC
SCHEMBL7389021 0.76 ALDH1A1 (0.67) ALDH1A1L3MBTL1HSD17B10ADORA2APTPRC
SCHEMBL9324952 0.76 ALDH1A1 (0.59) ALDH1A1L3MBTL1HSD17B10ADORA2APTPRC
SCHEMBL31607672 0.75 ALDH1A1 (1.00) ALDH1A1L3MBTL1HSD17B10ADORA2APTPRC
SCHEMBL169281 0.75 ALDH1A1 (1.00) ALDH1A1L3MBTL1HSD17B10ADORA2APTPRC
Hydrochloric Acid SCHEMBL10595669 0.72 ALDH1A1 (0.93) ALDH1A1L3MBTL1HSD17B10ADORA2APTPRC
Ammonia Solution, Strong SCHEMBL21297045 0.72 ALDH1A1 (0.93) ALDH1A1L3MBTL1HSD17B10ADORA2APTPRC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2380567-B1 MELANIN PRODUCTION INHIBITOR POLA CHEM IND INC (JP) 2019-01-16 EP disclosed
EP-3009123-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2016-04-20 EP disclosed
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2015-11-19 US disclosed
EP-2845587-A2 Melanin production inhibitor Pola Chemical Industries Inc. (JP) 2015-03-11 EP disclosed
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2014-12-11 US disclosed
US-8846012-B2 Melanin production inhibitor POLA CHEMICAL INDUSTRIES INC. (JP) 2014-09-30 US disclosed
EP-2380567-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2011-10-26 EP disclosed
US-20110243865-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2011-10-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110243865-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, TH ALDH1A1 1292/4885L3MBTL1 895/4885HSD17B10 805/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 ALDH1A1 1031/4885L3MBTL1 644/4885HSD17B10 719/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R ALDH1A1 1187/4885L3MBTL1 680/4885HSD17B10 797/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.